CID 82609488

1503955-71-2

Structural Information

Molecular Formula
C10H7NO4
SMILES
C1=CC(=CC=C1C2=CC(=O)NO2)C(=O)O
InChI
InChI=1S/C10H7NO4/c12-9-5-8(15-11-9)6-1-3-7(4-2-6)10(13)14/h1-5H,(H,11,12)(H,13,14)
InChIKey
FVAVMQFSPCWWBL-UHFFFAOYSA-N
Compound name
4-(3-oxo-1,2-oxazol-5-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0375 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04478 138.9
[M+Na]+ 228.02672 148.3
[M-H]- 204.03022 143.4
[M+NH4]+ 223.07132 155.6
[M+K]+ 244.00066 146.1
[M+H-H2O]+ 188.03476 132.6
[M+HCOO]- 250.03570 160.5
[M+CH3COO]- 264.05135 177.4
[M+Na-2H]- 226.01217 143.9
[M]+ 205.03695 139.3
[M]- 205.03805 139.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.